AD56994
228244-04-0 | (S)-1-Boc-2-cyanopyrrolidine
Manufacturer: A2B Chem
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CatalogNumber
AD56994
ChemicalName
(S)-1-Boc-2-cyanopyrrolidine
CasNumber
228244-04-0
MolecularFormula
C10H16N2O2
MolecularWeight
196.24624000000009
MdlNumber
MFCD01861224
Smiles
N#C[C@@H]1CCCN1C(=O)OC(C)(C)C
Complexity
272
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
3
RotatableBondCount
2
Xlogp3
1.4
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CatalogNumber: AD56994
ChemicalName: (S)-1-Boc-2-cyanopyrrolidine
CasNumber: 228244-04-0
MolecularFormula: C10H16N2O2
MolecularWeight: 196.24624000000009
MdlNumber: MFCD01861224
Smiles: N#C[C@@H]1CCCN1C(=O)OC(C)(C)C
Complexity: 272
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 1.4
CatalogNumber:
AD56994
ChemicalName:
(S)-1-Boc-2-cyanopyrrolidine
CasNumber:
228244-04-0
MolecularFormula:
C10H16N2O2
MolecularWeight:
196.24624000000009
MdlNumber:
MFCD01861224
Smiles:
N#C[C@@H]1CCCN1C(=O)OC(C)(C)C
Complexity:
272
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
1.4
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Smiles: NCC(=O)N[C@H](C(=O)Nc1ccc2c(c1)cccc2)CCCNC(=N)N
Complexity: __
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Smiles:
NCC(=O)N[C@H](C(=O)Nc1ccc2c(c1)cccc2)CCCNC(=N)N
Complexity:
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Smiles: CCCCOc1ccc(cc1)CC(=O)NO
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Smiles:
CCCCOc1ccc(cc1)CC(=O)NO
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Smiles: c1ccc(cc1)c1ccc2c(c1)OCO2
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Smiles:
c1ccc(cc1)c1ccc2c(c1)OCO2
Complexity:
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Covalently-bondedUnitCount:
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DefinedAtomStereocenterCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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